Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1ZUY-6.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
A
 A
A
A
 A A
A
A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 0.458 ΔGbinding 3.223
TOTAL
 3.681
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.309
Van der Waals -3.907 Backbone clash 3.118
Electrostatics 0.056 Helix dipole 0.000
Solvation Polar 4.002 Water bridges -0.000
Solvation Hyd -5.164 Disulfide 0.000
VdW clashes 3.970 Electrost. Kon 0.054
Entropy sc 0.267 Part.cov.bonds 0.000
Entropy mc

2.638

 ΔGstability

26.991
       

Predicted ligand sequences for model [MYO3_1ZUY-6.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  MYO3_1ZUY-6.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFRMGWWRPY 0.0
2 RFRIGWWRPY 0.0
3 RFIMGWWRPY 0.2
4 RFIIGWWRPY 0.2
5 RFHMGWWRPY 0.21
6 RFHIGWWRPY 0.21
7 RFRIGWIRPY 0.22
8 RFRMGWIRPY 0.22
9 RFRMGWWRMY 0.25
10 RFRIGWWRMY 0.25
11 RFRIGWWRRY 0.3
12 RFRMGWWRRY 0.3
13 RFRIGWWPPY 0.34
14 RFRMGWWPPY 0.34
15 RFRMGWERPY 0.37
16 RFRIGWERPY 0.37
17 RFIIGWIRPY 0.42
18 RFIMGWIRPY 0.42
19 RFHIGWIRPY 0.43
20 RFHMGWIRPY 0.43
21 RFRIGWWHPY 0.44
22 RFRMGWWHPY 0.44
23 RFRIGMWRPY 0.44
24 RFRMGMWRPY 0.44
25 RFIMGWWRMY 0.45
26 RFIIGWWRMY 0.45
27 RFHIGWWRMY 0.46
28 RFHMGWWRMY 0.46
29 RFRIGWIRMY 0.48
30 RFRMGWIRMY 0.48
31 RFRWGWWRPY 0.49
32 RFIIGWWRRY 0.5
33 RFIMGWWRRY 0.5
34 RFHMGWWRRY 0.51
35 RFHIGWWRRY 0.51
36 RFRMGWIRRY 0.52
37 RFRIGWIRRY 0.52
38 RFIIGWWPPY 0.54
39 RFIMGWWPPY 0.54
40 RFHMGWWPPY 0.56
41 RFHIGWWPPY 0.56
42 RFRIGWIPPY 0.57
43 RFRMGWIPPY 0.57
44 RFIIGWERPY 0.57
45 RFIMGWERPY 0.57
46 RFHIGWERPY 0.58
47 RFHMGWERPY 0.58
48 RFRMGWWPMY 0.6
49 RFRIGWWPMY 0.6
50 RFRMGWERMY 0.62
51 RFRIGWERMY 0.62
52 RFRIGWWPRY 0.64
53 RFIMGMWRPY 0.64
54 RFIMGWWHPY 0.64
55 RFRMGWWPRY 0.64
56 RFIIGMWRPY 0.64
57 RFIIGWWHPY 0.64
58 RFHIGMWRPY 0.65
59 RFHMGMWRPY 0.65
60 RFHIGWWHPY 0.66
61 RFHMGWWHPY 0.66
62 RFRIGMIRPY 0.67
63 RFRIGWERRY 0.67
64 RFIIGWIRMY 0.67
65 RFIMGWIRMY 0.67
66 RFRIGWIHPY 0.67
67 RFRMGMIRPY 0.67
68 RFRMGWERRY 0.67
69 RFRMGWIHPY 0.67
70 RFHMGWIRMY 0.69
71 RFIWGWWRPY 0.69
72 RFHIGWIRMY 0.69
73 RFRIGMWRMY 0.7
74 RFRMGWWHMY 0.7
75 RFRMGMWRMY 0.7
76 RFHWGWWRPY 0.7
77 RFRIGWWHMY 0.7
78 RFRIGWEPPY 0.71
79 RFRWGWIRPY 0.71
80 RFRMGWEPPY 0.71
81 RFIMGWIRRY 0.72
82 RFIIGWIRRY 0.72
83 RFHMGWIRRY 0.73
84 RFHIGWIRRY 0.73
85 RFRIGMWRRY 0.74
86 RFRMGMWRRY 0.74
87 RFRIGWWHRY 0.74
88 RFRMGWWHRY 0.74
89 RFRWGWWRMY 0.74
90 RFIMGWIPPY 0.77
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RFHMGWWRMY

0.68

-5.78

-5.1
2 RFIIGWWRPY

0.9

-5.87

-4.97
3 RFRMGWWRMY

0.87

-5.5

-4.63
4 RFHMGWWRPY

0.59

-5.15

-4.56
5 RFRMGWWRPY

0.9

-5.42

-4.52
6 RFRMGWWPPY

1.49

-5.95

-4.46
7 RFHIGWWRMY

0.77

-5.19

-4.42
8 RFRIGWWHPY

0.66

-4.97

-4.31
9 RFHMGWIRPY

0.47

-4.77

-4.3
10 RFRMGWIRMY

0.44

-4.71

-4.27
11 RFRIGWWRRY

0.94

-5.17

-4.23
12 RFRIGWIRMY

0.5

-4.6

-4.1
13 RFIIGWIRPY

0.46

-4.54

-4.08
14 RFRIGWWPPY

1.47

-5.51

-4.04
15 RFHIGWWRPY

0.76

-4.79

-4.03
16 RFIMGWWRMY

0.72

-4.74

-4.02
17 RFRMGMWRPY

0.98

-4.92

-3.94
18 RFIMGWIRPY

0.35

-4.05

-3.7
19 RFRMGWIRPY

0.41

-3.94

-3.53
20 RFRIGWWRMY

0.99

-4.32

-3.33
21 RFRMGWWRRY

1.65

-4.86

-3.21
22 RFIIGWWRMY

1.77

-4.92

-3.15
23 RFRMGWWHPY

1.78

-4.82

-3.04
24 RFRIGMWRPY

1.84

-4.85

-3.01
25 RFIMGWWRPY

1.68

-4.62

-2.94
26 RFRMGWERPY

0.58

-3.52

-2.94
27 RFRIGWERPY

0.57

-3.4

-2.83
28 RFRIGWIRPY

1.81

-4.57

-2.76
29 RFHIGWIRPY

1.85

-4.35

-2.5
30 RFRIGWWRPY

2.32

-4.47

-2.15

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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